Spektraris NMR
Mammea E/BA
Common Name: Mammea E/BA
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H30O7/c1-7-18(30-14(6)25)16-11-19(27)31-24-20(16)22(28)15(9-8-12(2)3)23(29)21(24)17(26)10-13(4)5/h8,11,13,18,28-29H,7,9-10H2,1-6H3
InChIKey: InChIKey=YOWZJSSQEMLPTC-UHFFFAOYSA-N
Formula: C24H30O7
Molecular Weight: 430.491719
Exact Mass: 430.199153
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yang, H., Protiva, P., Gil, R.R., Jiang, B., Baggett, S., Basile, M.J., Reynertson, K.A., Weinstein, I.B., Kennelly, E.J. Planta Med (2005) 71, 852-60
Species:
Notes: Family : Chromans, Type : Coumarins, Group : 4-Propylcoumarins; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 (C) | 159.3 |
| 3 (CH) | 106.5 |
| 4 (C) | 158.1 |
| 5 (C) | 157.2 |
| 6 (C) | 110.2 |
| 7 (C) | 165.8 |
| 8 (C) | 104.3 |
| 9 (C) | 156.1 |
| 10 (C) | 100.4 |
| 1' (CH) | 73.7 |
| 2' (CH2) | 28.8 |
| 3' (CH3) | 10.1 |
| 6a (CH2) | 21.7 |
| 6b (CH) | 120 |
| 6c (C) | 138.8 |
| 6d (CH3) | 25.9 |
| 6e (CH3) | 18.1 |
| 8a (C) | 206.3 |
| 8b (CH2) | 53.2 |
| 8c (CH) | 25.6 |
| 8d (CH3) | 22.6 |
| 8e (CH3) | 22.6 |
| 1'a (C) | 170.4 |
| 1'b (CH3) | 21 |
